SCHEMBL19976928

SCHEMBL19976928

COC[C@H](C)N/C(=N/C(=O)c1ccc(Cl)cc1)Nc1[nH]nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.37
TCF7L2 Q9NQB0 5/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 3/20 0.36
HPGD P15428 1/20 0.35
PTGES O14684 1/20 0.34
RHOC P08134 2/20 0.34
RHOA P61586 2/20 0.34
PTGS2 P35354 2/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19976944 0.91 MAPK1 (0.36) LMNAKDM4EALDH1A1TP53MAPK1
SCHEMBL19976833 0.91 HPGD (0.41) LMNAKDM4EALDH1A1TP53GAA
SCHEMBL19976798 0.91 PTGES (0.36) LMNAKDM4EALDH1A1TP53GAA
SCHEMBL19976803 0.89 MAPK1 (0.38) LMNAKDM4EALDH1A1TP53GAA
SCHEMBL19976851 0.85 POLB (0.35) CTNNB1TCF7L2LMNAKDM4EALDH1A1
SCHEMBL18558300 0.84 NPC1 (0.46) KDM4EALDH1A1GAAKMT2A
SCHEMBL19976806 0.83 HPGD (0.51) LMNAKDM4EALDH1A1TP53GAA
SCHEMBL19976796 0.82 MAPT (0.43) KDM4EALDH1A1GAAMAPK1HPGD
SCHEMBL19976727 0.82 GSK3B (0.36) LMNATP53MAPK1PTGESHTT
SCHEMBL19976770 0.81 MAPK1 (0.38) ALDH1A1MAPK1HPGDPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed